Information card for entry 2231627

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(3-chlorophenyl)malonamide
• Formula: C15 H12 Cl2 N2 O2
• Calculated formula: C15 H12 Cl2 N2 O2
• SMILES: Clc1cc(NC(=O)CC(=O)Nc2cc(Cl)ccc2)ccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(3-chlorophenyl)malonamide
• Authors of publication: Rodrigues, Vinola Z.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2278
• a: 10.9209 ± 0.0008 Å
• b: 16.416 ± 0.001 Å
• c: 17.49 ± 0.001 Å
• α: 90°
• β: 105.26 ± 0.006°
• γ: 90°
• Cell volume: 3025 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes